#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf s SER 2 N 0.00 1.17 0.22 1.61 1.04 -1.26 -5.17 113.70 111.30 2yuf s SER 2 Ca 0.00 -1.26 0.11 0.00 0.48 0.00 0.00 55.95 55.28 2yuf s SER 2 Cb 0.00 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2yuf s SER 2 CO 0.00 -0.64 -0.22 -0.44 0.98 0.00 0.00 173.24 172.92 2yuf s SER 3 N -3.23 3.35 0.00 7.02 0.01 -1.26 -5.10 113.70 114.50 2yuf s SER 3 Ca 0.30 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2yuf s SER 3 Cb 0.07 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2yuf s SER 3 CO 0.08 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2yuf n GLY 4 N -0.04 -0.68 3.04 3.44 0.00 -1.26 -5.07 105.19 104.63 2yuf n GLY 4 Ca -0.10 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2yuf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuf s SER 5 N -4.00 5.11 -0.08 1.61 1.04 -1.26 -4.93 113.70 111.19 2yuf s SER 5 Ca 0.00 -3.19 -0.04 0.00 0.48 0.00 0.00 55.95 53.20 2yuf s SER 5 Cb 0.00 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 2yuf s SER 5 CO 0.00 -0.27 0.17 0.28 0.98 0.00 0.00 173.24 174.40 2yuf h SER 6 N 6.50 -0.12 0.00 7.02 0.02 -2.01 -3.49 113.55 121.47 2yuf h SER 6 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2yuf h SER 6 Cb 0.89 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2yuf h SER 6 CO 0.73 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.37 2yuf n GLY 7 N 1.42 0.62 2.88 -3.77 0.00 -1.26 -5.13 105.19 99.95 2yuf n GLY 7 Ca -0.02 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 2yuf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yuf s GLU 8 N 0.00 0.04 0.00 1.61 -6.30 -1.26 -5.16 118.70 107.63 2yuf s GLU 8 Ca 0.00 0.18 0.00 0.00 -2.50 0.00 0.00 54.97 52.65 2yuf s GLU 8 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 34.13 34.03 2yuf s GLU 8 CO 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 175.26 175.19 2yuf n ALA 9 N 3.67 0.00 -0.43 6.30 0.00 -1.26 -4.97 120.51 123.83 2yuf n ALA 9 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 2yuf n ALA 9 Cb 0.55 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.26 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N 0.00 -1.63 -4.83 0.00 4.77 -1.26 -5.05 117.00 109.00 2yuf n LEU 10 Ca 0.00 -0.36 -0.28 0.00 -0.03 0.00 0.00 56.01 55.34 2yuf n LEU 10 Cb 0.00 -1.15 -0.04 0.00 -2.33 0.00 0.00 43.42 39.90 2yuf n LEU 10 CO 0.00 -3.64 -0.09 -1.81 -1.33 0.00 0.00 177.39 170.52 2yuf s ASP 11 N -2.47 4.43 0.38 -1.43 1.01 -1.26 -4.95 116.67 112.39 2yuf s ASP 11 Ca 0.67 -1.35 0.12 0.00 0.71 0.00 0.00 52.55 52.70 2yuf s ASP 11 Cb -0.21 0.29 0.77 0.00 1.01 0.00 0.00 42.92 44.78 2yuf s ASP 11 CO 0.63 -0.92 1.86 0.00 0.21 0.00 0.00 175.17 176.95 2yuf h ALA 12 N 1.07 1.45 -0.00 5.23 0.00 -1.98 0.31 119.26 125.34 2yuf h ALA 12 Ca -0.40 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 2yuf h ALA 12 Cb 1.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2yuf h ALA 12 CO 0.65 0.41 -0.81 0.00 0.00 0.00 0.00 179.25 179.51 2yuf h ALA 13 N 1.66 0.66 0.03 0.00 0.00 -1.84 -3.06 119.26 116.70 2yuf h ALA 13 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 54.91 53.90 2yuf h ALA 13 Cb 0.58 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2yuf h ALA 13 CO 0.04 0.97 -1.62 0.00 0.00 0.00 0.00 179.25 178.64 2yuf h ALA 14 N 1.15 0.62 -0.03 0.00 0.00 -1.69 -3.34 119.26 115.97 2yuf h ALA 14 Ca -0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 54.91 53.50 2yuf h ALA 14 Cb 1.42 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2yuf h ALA 14 CO 0.11 1.46 -0.24 0.00 0.00 0.00 0.00 179.25 180.58 2yuf h ALA 15 N 0.83 1.55 -0.08 0.00 0.00 -0.44 -2.93 119.26 118.19 2yuf h ALA 15 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2yuf h ALA 15 Cb 1.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 2yuf h ALA 15 CO 0.10 0.33 0.05 1.25 0.00 0.00 0.00 179.25 180.99 2yuf h LEU 16 N 0.04 0.10 -1.95 0.00 6.46 -1.65 -1.87 115.31 116.44 2yuf h LEU 16 Ca 0.01 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2yuf h LEU 16 Cb 0.45 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2yuf h LEU 16 CO 0.03 0.09 -0.02 0.28 -0.62 0.00 0.00 178.44 178.20 2yuf h SER 17 N 0.10 0.00 0.63 1.25 0.02 -1.68 -0.66 113.55 113.20 2yuf h SER 17 Ca 0.03 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 2yuf h SER 17 Cb 0.01 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2yuf h SER 17 CO -0.01 0.02 -0.66 0.58 -1.14 0.00 0.00 176.83 175.63 2yuf h VAL 18 N 0.00 1.47 0.00 2.27 2.07 -1.31 -1.61 116.25 119.13 2yuf h VAL 18 Ca -0.00 -2.25 -0.20 0.00 0.82 0.00 0.00 66.70 65.07 2yuf h VAL 18 Cb 0.04 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2yuf h VAL 18 CO 0.00 0.64 -1.07 0.00 0.02 0.00 0.00 177.57 177.17 2yuf h ALA 19 N 1.32 0.52 0.10 1.67 0.00 -0.45 -2.78 119.26 119.63 2yuf h ALA 19 Ca -0.01 -0.92 -0.26 0.00 0.00 0.00 0.00 54.91 53.72 2yuf h ALA 19 Cb 1.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2yuf h ALA 19 CO 0.09 1.16 -1.20 0.93 0.00 0.00 0.00 179.25 180.23 2yuf h GLU 20 N 0.00 0.20 -0.02 0.00 4.39 -1.12 -3.17 114.58 114.87 2yuf h GLU 20 Ca -0.07 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.17 2yuf h GLU 20 Cb 1.72 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2yuf h GLU 20 CO 0.10 1.16 -0.41 0.00 -1.16 0.00 0.00 179.01 178.70 2yuf h VAL 22 N -0.26 0.83 0.00 0.00 3.04 -1.62 -0.01 116.25 118.23 2yuf h VAL 22 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2yuf h VAL 22 Cb 1.13 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2yuf h VAL 22 CO 0.08 0.00 -0.76 -0.33 -1.01 0.00 0.00 177.57 175.55 2yuf h GLU 23 N 0.00 0.00 0.00 4.17 4.39 -1.56 -3.15 114.58 118.44 2yuf h GLU 23 Ca 0.06 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.60 2yuf h GLU 23 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2yuf h GLU 23 CO -0.00 0.00 -0.99 0.00 -1.16 0.00 0.00 179.01 176.86 2yuf h ARG 24 N 0.00 0.00 0.00 2.33 3.08 -0.51 -3.32 114.38 115.96 2yuf h ARG 24 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2yuf h ARG 24 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2yuf h ARG 24 CO 0.00 0.54 -1.11 0.00 -1.07 0.00 0.00 179.97 178.32 2yuf h MET 25 N 0.00 0.00 0.09 0.04 -0.00 -1.34 -3.37 114.93 110.35 2yuf h MET 25 Ca -0.08 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2yuf h MET 25 Cb 1.58 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 33.15 2yuf h MET 25 CO 0.07 0.38 -0.22 0.00 -0.00 0.00 0.00 176.91 177.14 2yuf h ALA 26 N 1.44 -0.35 -0.91 -3.00 0.00 -1.64 0.27 119.26 115.06 2yuf h ALA 26 Ca -0.11 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.01 2yuf h ALA 26 Cb 1.52 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 2yuf h ALA 26 CO 0.05 -0.74 0.62 -1.35 0.00 0.00 0.00 179.25 177.83 2yuf h PRO 27 N -0.40 0.22 0.02 0.00 0.11 -1.73 0.46 132.00 130.68 2yuf h PRO 27 Ca 0.03 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.86 2yuf h PRO 27 Cb 0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 2yuf h PRO 27 CO -0.14 0.14 -1.47 1.79 -0.21 0.00 0.00 178.00 178.12 2yuf h THR 28 N 0.23 1.16 -4.01 -1.15 1.35 -1.57 -3.47 112.91 105.44 2yuf h THR 28 Ca 0.46 -2.94 -0.56 0.00 -0.55 0.00 0.00 66.41 62.83 2yuf h THR 28 Cb 1.44 2.60 0.15 0.00 -1.73 0.00 0.00 68.15 70.61 2yuf h THR 28 CO -0.11 0.70 0.53 0.18 -0.25 0.00 0.00 175.52 176.56 2yuf n LEU 29 N -3.21 5.58 -4.78 3.87 4.77 0.90 -4.97 117.00 119.16 2yuf n LEU 29 Ca -0.12 0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 56.44 2yuf n LEU 29 Cb 1.01 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2yuf n LEU 29 CO 0.46 -0.84 0.74 -2.16 -1.33 0.00 0.00 177.39 174.26 2yuf s PRO 30 N -3.05 3.11 -0.08 3.23 0.04 -1.26 -4.96 135.00 132.03 2yuf s PRO 30 Ca 0.76 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 2yuf s PRO 30 Cb -0.40 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2yuf s PRO 30 CO 0.46 -1.00 1.60 0.15 0.04 0.00 0.00 177.00 178.25 2yuf s LYS 31 N -3.90 4.16 0.92 4.56 3.01 -1.26 -5.00 119.74 122.22 2yuf s LYS 31 Ca 0.67 2.08 -0.12 0.00 -1.01 0.00 0.00 55.97 57.59 2yuf s LYS 31 Cb -0.19 -3.96 0.20 0.00 -1.01 0.00 0.00 37.83 32.87 2yuf s LYS 31 CO 0.36 -0.86 1.25 0.43 0.51 0.00 0.00 175.35 177.04 2yuf n SER 32 N 7.16 0.52 -3.80 2.83 7.64 -1.26 -5.12 113.62 121.59 2yuf n SER 32 Ca 0.17 -1.71 -0.13 0.00 1.01 0.00 0.00 58.87 58.22 2yuf n SER 32 Cb 0.43 -0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 2yuf n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2yuf s ASP 33 N -5.70 -0.22 -0.04 6.43 -1.08 -1.26 -5.05 116.67 109.76 2yuf s ASP 33 Ca 0.74 0.38 0.10 0.00 -0.52 0.00 0.00 52.55 53.25 2yuf s ASP 33 Cb -0.03 0.45 -0.23 0.00 -1.46 0.00 0.00 42.92 41.65 2yuf s ASP 33 CO 0.51 -0.14 0.68 -0.07 0.52 0.00 0.00 175.17 176.67 2yuf h LEU 34 N 5.47 0.04 -0.18 -1.34 3.38 -1.99 -3.32 115.31 117.37 2yuf h LEU 34 Ca -0.27 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 2yuf h LEU 34 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2yuf h LEU 34 CO 0.36 1.08 -0.44 -1.13 0.09 0.00 0.00 178.44 178.41 2yuf h ASN 35 N 0.01 0.69 -0.17 -0.43 -0.00 -1.99 -0.74 115.58 112.94 2yuf h ASN 35 Ca -0.28 -0.57 0.01 0.00 -0.00 0.00 0.00 56.30 55.45 2yuf h ASN 35 Cb 2.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 40.11 2yuf h ASN 35 CO 0.08 1.14 0.12 -0.08 -0.00 0.00 0.00 177.43 178.69 2yuf h GLU 36 N 0.27 0.21 0.00 6.67 4.81 -2.00 -1.93 114.58 122.61 2yuf h GLU 36 Ca -0.01 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 2yuf h GLU 36 Cb 1.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 2yuf h GLU 36 CO 0.10 0.14 -1.37 -0.39 -0.73 0.00 0.00 179.01 176.75 2yuf h VAL 37 N 0.22 1.04 -0.39 0.32 -1.51 -1.64 -3.36 116.25 110.93 2yuf h VAL 37 Ca 0.07 -2.77 0.03 0.00 -1.23 0.00 0.00 66.70 62.80 2yuf h VAL 37 Cb 0.00 2.48 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 2yuf h VAL 37 CO -0.01 0.59 0.20 0.11 -1.23 0.00 0.00 177.57 177.23 2yuf h LYS 38 N 0.00 0.39 -0.06 5.19 1.57 -0.33 -0.91 116.57 122.42 2yuf h LYS 38 Ca -0.17 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2yuf h LYS 38 Cb 1.83 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.05 2yuf h LYS 38 CO 0.09 0.26 0.07 0.93 -0.57 0.00 0.00 179.45 180.23 2yuf h GLU 39 N 0.41 0.00 0.00 3.15 4.39 -1.64 0.16 114.58 121.04 2yuf h GLU 39 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2yuf h GLU 39 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2yuf h GLU 39 CO -0.11 0.00 -0.34 1.28 -1.16 0.00 0.00 179.01 178.67 2yuf n LEU 40 N -3.86 0.35 -0.03 1.33 4.77 -0.40 -3.48 117.00 115.67 2yuf n LEU 40 Ca -0.01 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2yuf n LEU 40 Cb 0.17 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2yuf n LEU 40 CO 0.28 0.08 -0.19 0.18 -1.33 0.00 0.00 177.39 176.41 2yuf n LEU 41 N -1.51 0.78 0.22 2.23 4.77 0.50 -3.67 117.00 120.33 2yuf n LEU 41 Ca 0.06 0.31 0.18 0.00 -0.03 0.00 0.00 56.01 56.53 2yuf n LEU 41 Cb 0.34 -0.64 0.83 0.00 -2.33 0.00 0.00 43.42 41.62 2yuf n LEU 41 CO 0.33 -0.46 1.15 0.07 -1.33 0.00 0.00 177.39 177.15 2yuf h LYS 42 N -0.42 0.00 0.05 3.23 2.10 -1.62 0.15 116.57 120.07 2yuf h LYS 42 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 2yuf h LYS 42 Cb 0.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 2yuf h LYS 42 CO 0.00 0.00 -1.11 0.00 -2.00 0.00 0.00 179.45 176.34 2yuf h THR 43 N 0.00 1.62 -1.46 0.07 1.03 -1.76 -3.46 112.91 108.95 2yuf h THR 43 Ca 0.09 -3.27 -0.46 0.00 -0.01 0.00 0.00 66.41 62.75 2yuf h THR 43 Cb 0.70 2.89 0.04 0.00 -1.07 0.00 0.00 68.15 70.71 2yuf h THR 43 CO -0.00 0.94 -0.07 0.20 -0.01 0.00 0.00 175.52 176.58 2yuf s ASN 44 N -6.89 5.02 0.00 0.00 -0.87 0.52 -5.06 114.94 107.66 2yuf s ASN 44 Ca -0.01 -0.55 0.00 0.00 -1.57 0.00 0.00 52.86 50.73 2yuf s ASN 44 Cb 0.09 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 2yuf s ASN 44 CO 0.85 -1.36 0.00 0.29 -2.57 0.00 0.00 177.10 174.31 2yuf n LYS 45 N -2.34 0.00 0.32 -0.60 5.02 -1.26 -4.47 118.16 114.83 2yuf n LYS 45 Ca 0.13 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.30 2yuf n LYS 45 Cb 0.61 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 2yuf n LYS 45 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2yuf h LYS 46 N 0.00 -0.78 -0.97 1.97 1.63 -1.97 -1.05 116.57 115.41 2yuf h LYS 46 Ca 0.00 0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2yuf h LYS 46 Cb 0.90 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.65 2yuf h LYS 46 CO 0.00 -0.52 0.64 -0.07 -3.45 0.00 0.00 179.45 176.05 2yuf h LEU 47 N -0.89 1.09 -2.13 5.20 3.38 -1.92 0.45 115.31 120.48 2yuf h LEU 47 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2yuf h LEU 47 Cb 0.62 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2yuf h LEU 47 CO 0.14 0.77 -0.05 0.00 0.09 0.00 0.00 178.44 179.39 2yuf h ALA 48 N 1.37 1.61 0.07 1.53 0.00 -1.75 -0.24 119.26 121.85 2yuf h ALA 48 Ca 0.36 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.86 2yuf h ALA 48 Cb -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2yuf h ALA 48 CO -0.09 0.07 -2.12 1.63 0.00 0.00 0.00 179.25 178.73 2yuf n LYS 49 N -4.03 0.71 0.12 0.00 5.02 -0.40 -2.72 118.16 116.86 2yuf n LYS 49 Ca -0.03 0.22 -0.05 0.00 -2.02 0.00 0.00 58.31 56.43 2yuf n LYS 49 Cb 0.14 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 2yuf n LYS 49 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2yuf h MET 50 N 0.04 -0.31 -0.54 1.97 4.05 0.13 -3.40 114.93 116.88 2yuf h MET 50 Ca -0.46 0.02 -0.37 0.00 -0.28 0.00 0.00 59.70 58.61 2yuf h MET 50 Cb 2.01 0.07 -0.39 0.00 -0.80 0.00 0.00 31.60 32.49 2yuf h MET 50 CO 0.04 -0.20 -0.93 0.44 0.23 0.00 0.00 176.91 176.48 2yuf n ILE 51 N -3.16 1.87 -0.01 1.77 -5.35 -0.27 -4.79 119.36 109.42 2yuf n ILE 51 Ca -0.04 -3.47 -0.06 0.00 -0.27 0.00 0.00 62.75 58.92 2yuf n ILE 51 Cb 0.13 0.02 -0.12 0.00 -1.74 0.00 0.00 39.64 37.92 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.63 -1.06 0.14 3.28 0.00 -0.26 -4.06 105.19 102.60 2yuf n GLY 52 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.00 0.00 -0.55 1.61 2.07 -1.86 -3.19 115.15 113.23 2yuf h HIS 53 Ca -0.26 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.17 2yuf h HIS 53 Cb 1.89 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.85 2yuf h HIS 53 CO 0.00 0.58 -0.02 0.82 -3.07 0.00 0.00 177.93 176.25 2yuf h ILE 54 N 0.00 1.26 -0.43 6.12 2.04 -1.92 0.11 117.51 124.69 2yuf h ILE 54 Ca -0.01 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 2yuf h ILE 54 Cb 1.22 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2yuf h ILE 54 CO 0.08 0.40 -0.02 -0.26 0.00 0.00 0.00 178.15 178.35 2yuf h PHE 55 N 0.88 0.75 0.00 1.37 0.04 -1.70 -2.75 116.94 115.54 2yuf h PHE 55 Ca 0.16 -0.10 -0.18 0.00 2.80 0.00 0.00 57.97 60.65 2yuf h PHE 55 Cb 0.54 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 2yuf h PHE 55 CO 0.03 0.71 -0.92 0.93 -0.60 0.00 0.00 178.31 178.47 2yuf h GLU 56 N 0.66 0.00 -6.83 1.51 5.08 -1.52 -3.47 114.58 110.01 2yuf h GLU 56 Ca 0.13 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.11 2yuf h GLU 56 Cb 0.44 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.89 2yuf h GLU 56 CO 0.02 0.77 -0.28 -0.12 -1.00 0.00 0.00 179.01 178.40 2yuf n MET 57 N -3.26 -3.31 -0.02 2.33 1.56 0.37 -5.00 117.12 109.79 2yuf n MET 57 Ca -0.01 -0.96 -0.01 0.00 -0.27 0.00 0.00 57.70 56.44 2yuf n MET 57 Cb 0.88 -1.90 0.01 0.00 2.15 0.00 0.00 33.22 34.36 2yuf n MET 57 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2yuf n ASN 58 N -4.32 -1.75 -0.08 6.12 2.85 -1.26 -5.00 115.26 111.83 2yuf n ASN 58 Ca 0.07 -0.21 -0.09 0.00 -0.11 0.00 0.00 54.58 54.24 2yuf n ASN 58 Cb 0.55 -0.05 -0.09 0.00 1.24 0.00 0.00 39.78 41.43 2yuf n ASN 58 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2yuf n ASP 59 N -3.12 2.26 -3.42 1.20 8.00 -1.26 -4.78 116.55 115.43 2yuf n ASP 59 Ca 0.01 -0.05 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 2yuf n ASP 59 Cb 0.03 0.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.28 2yuf n ASP 59 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2yuf n ASP 60 N -2.76 2.59 -4.29 -2.24 2.03 -1.26 -5.03 116.55 105.58 2yuf n ASP 60 Ca -0.26 -3.18 -0.28 0.00 0.52 0.00 0.00 54.79 51.59 2yuf n ASP 60 Cb 0.87 -0.67 -0.15 0.00 -0.72 0.00 0.00 41.12 40.46 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2yuf s ASP 61 N -1.92 2.80 0.29 1.67 2.15 -1.26 -5.04 116.67 115.37 2yuf s ASP 61 Ca 0.37 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.83 2yuf s ASP 61 Cb 0.13 -0.25 0.60 0.00 -0.30 0.00 0.00 42.92 43.10 2yuf s ASP 61 CO -0.06 0.22 1.83 -0.65 -0.17 0.00 0.00 175.17 176.33 2yuf h PRO 62 N 4.90 0.91 0.00 4.34 0.11 -2.01 0.16 132.00 140.42 2yuf h PRO 62 Ca -0.44 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2yuf h PRO 62 Cb 1.15 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2yuf h PRO 62 CO 0.44 0.60 -0.22 0.45 -0.21 0.00 0.00 178.00 179.07 2yuf h HIS 63 N 0.94 0.00 0.31 0.65 3.86 -1.98 -2.58 115.15 116.36 2yuf h HIS 63 Ca 0.51 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.70 2yuf h HIS 63 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2yuf h HIS 63 CO -0.00 0.22 -0.15 -0.22 0.86 0.00 0.00 177.93 178.64 2yuf h LYS 64 N 0.00 -0.40 -0.05 2.45 3.64 -1.36 0.88 116.57 121.73 2yuf h LYS 64 Ca -0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2yuf h LYS 64 Cb 0.40 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2yuf h LYS 64 CO 0.03 -0.26 -0.23 0.93 -2.27 0.00 0.00 179.45 177.65 2yuf h GLU 65 N -0.44 0.08 0.00 1.90 5.08 -1.49 0.21 114.58 119.92 2yuf h GLU 65 Ca -0.04 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 2yuf h GLU 65 Cb 0.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2yuf h GLU 65 CO 0.07 0.31 -1.05 0.93 -1.00 0.00 0.00 179.01 178.27 2yuf h GLU 66 N 0.07 0.01 0.11 2.33 5.08 -1.11 -2.52 114.58 118.55 2yuf h GLU 66 Ca 0.01 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2yuf h GLU 66 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2yuf h GLU 66 CO 0.03 0.97 -0.80 0.93 -1.00 0.00 0.00 179.01 179.15 2yuf h GLU 67 N 0.00 0.23 -0.32 2.33 4.39 0.12 -3.14 114.58 118.19 2yuf h GLU 67 Ca -0.03 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.22 2yuf h GLU 67 Cb 1.79 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.58 2yuf h GLU 67 CO 0.13 1.19 -0.00 0.82 -1.16 0.00 0.00 179.01 179.99 2yuf h ILE 68 N -0.48 1.26 -0.16 3.13 2.04 -0.73 -2.27 117.51 120.30 2yuf h ILE 68 Ca -0.15 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2yuf h ILE 68 Cb 1.55 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 2yuf h ILE 68 CO 0.10 0.31 0.11 0.03 0.00 0.00 0.00 178.15 178.70 2yuf h ARG 69 N 0.37 0.16 -0.06 2.37 3.08 -1.60 0.49 114.38 119.20 2yuf h ARG 69 Ca 0.09 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 2yuf h ARG 69 Cb 0.45 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2yuf h ARG 69 CO 0.02 0.11 -0.87 -0.22 -1.07 0.00 0.00 179.97 177.93 2yuf h LYS 70 N 0.16 0.56 0.06 0.04 3.64 -1.45 -3.32 116.57 116.26 2yuf h LYS 70 Ca 0.06 -0.52 -0.12 0.00 -1.27 0.00 0.00 60.65 58.80 2yuf h LYS 70 Cb 0.05 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2yuf h LYS 70 CO -0.01 1.15 -0.49 1.88 -2.27 0.00 0.00 179.45 179.71 2yuf h TYR 71 N 0.35 0.38 -0.34 1.91 0.05 -0.75 -3.39 116.97 115.18 2yuf h TYR 71 Ca -0.07 -0.25 -0.39 0.00 0.05 0.00 0.00 58.73 58.08 2yuf h TYR 71 Cb 1.49 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.19 2yuf h TYR 71 CO 0.07 1.14 1.27 0.43 -1.05 0.00 0.00 178.16 180.02 2yuf n SER 72 N -4.32 2.82 -3.22 3.88 7.64 0.16 -4.68 113.62 115.91 2yuf n SER 72 Ca -0.12 -2.68 -0.03 0.00 1.01 0.00 0.00 58.87 57.05 2yuf n SER 72 Cb 0.66 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuf s ALA 73 N 10.09 -1.94 0.23 -0.43 0.00 -1.26 -4.32 121.76 124.13 2yuf s ALA 73 Ca 0.67 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 2yuf s ALA 73 Cb 0.03 -2.59 0.22 0.00 0.00 0.00 0.00 23.12 20.77 2yuf s ALA 73 CO 0.14 -2.21 1.79 0.82 0.00 0.00 0.00 175.76 176.31 2yuf h ILE 74 N 5.00 1.25 -5.29 0.00 2.04 -1.84 -3.45 117.51 115.23 2yuf h ILE 74 Ca 0.05 -0.83 -0.43 0.00 1.00 0.00 0.00 64.86 64.65 2yuf h ILE 74 Cb 1.15 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2yuf h ILE 74 CO 0.12 0.33 -0.22 -1.22 0.00 0.00 0.00 178.15 177.16 2yuf n TYR 75 N -4.27 -0.61 -0.58 1.37 4.01 -1.26 -5.07 117.16 110.75 2yuf n TYR 75 Ca 0.06 -1.73 0.00 0.00 -0.16 0.00 0.00 57.90 56.07 2yuf n TYR 75 Cb 0.20 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 2yuf n TYR 75 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2yuf n GLY 76 N 0.18 -3.30 0.00 2.72 0.00 -1.26 -5.04 105.19 98.48 2yuf n GLY 76 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2yuf n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yuf n ARG 77 N -1.81 0.96 -2.27 1.61 0.63 -1.26 -5.07 116.66 109.45 2yuf n ARG 77 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 2yuf n ARG 77 Cb 0.16 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.15 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2yuf n PHE 78 N -1.08 -1.56 -3.15 -0.14 -1.74 -1.26 -5.08 117.46 103.45 2yuf n PHE 78 Ca 0.00 -1.39 0.04 0.00 -0.56 0.00 0.00 57.45 55.54 2yuf n PHE 78 Cb 0.00 1.30 -0.00 0.00 1.52 0.00 0.00 39.48 42.30 2yuf n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2yuf s ASP 79 N -1.05 -1.55 -1.07 5.98 1.01 -1.26 -5.08 116.67 113.65 2yuf s ASP 79 Ca 0.07 0.34 -0.23 0.00 0.71 0.00 0.00 52.55 53.44 2yuf s ASP 79 Cb 0.34 2.05 -0.05 0.00 1.01 0.00 0.00 42.92 46.26 2yuf s ASP 79 CO -0.10 -0.28 1.90 -0.94 0.21 0.00 0.00 175.17 175.96 2yuf s SER 80 N 2.84 5.27 0.00 0.27 1.04 -1.26 -4.26 113.70 117.60 2yuf s SER 80 Ca 0.13 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2yuf s SER 80 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2yuf s SER 80 CO -0.25 -2.74 0.00 1.17 0.98 0.00 0.00 173.24 172.40 2yuf n LYS 81 N 8.55 0.00 -4.36 4.02 3.00 -1.26 -5.11 118.16 123.00 2yuf n LYS 81 Ca 0.43 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.50 2yuf n LYS 81 Cb 0.47 -0.35 -0.08 0.00 0.00 0.00 0.00 35.03 35.07 2yuf n LYS 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2yuf s ARG 82 N -1.72 2.05 -0.22 1.64 0.52 -1.26 -5.10 118.95 114.86 2yuf s ARG 82 Ca 0.00 -1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 53.32 2yuf s ARG 82 Cb 0.00 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.49 2yuf s ARG 82 CO 0.00 0.31 1.07 0.15 0.02 0.00 0.00 175.30 176.85 2yuf s LYS 83 N -3.63 4.25 -0.26 3.54 -0.14 -1.26 -4.99 119.74 117.25 2yuf s LYS 83 Ca 0.32 1.40 -0.01 0.00 -1.36 0.00 0.00 55.97 56.31 2yuf s LYS 83 Cb -0.05 -3.66 0.13 0.00 -1.68 0.00 0.00 37.83 32.57 2yuf s LYS 83 CO 0.18 -0.65 0.31 0.34 -0.76 0.00 0.00 175.35 174.78 2yuf s ASP 84 N 1.32 1.15 -0.21 2.83 2.15 -1.26 -5.01 116.67 117.64 2yuf s ASP 84 Ca 0.46 -0.39 0.23 0.00 0.43 0.00 0.00 52.55 53.28 2yuf s ASP 84 Cb -0.16 0.68 0.49 0.00 -0.30 0.00 0.00 42.92 43.64 2yuf s ASP 84 CO 0.07 -0.35 1.13 0.61 -0.17 0.00 0.00 175.17 176.46 2yuf n GLY 85 N 5.33 1.79 1.58 2.66 0.00 -1.26 -4.83 105.19 110.46 2yuf n GLY 85 Ca -0.03 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.96 2yuf n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuf n LYS 86 N -0.38 0.30 -0.07 1.61 3.00 -1.26 -4.82 118.16 116.54 2yuf n LYS 86 Ca 0.08 -2.25 -0.07 0.00 -0.00 0.00 0.00 58.31 56.07 2yuf n LYS 86 Cb 0.88 -0.28 -0.10 0.00 0.00 0.00 0.00 35.03 35.53 2yuf n LYS 86 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2yuf n HIS 87 N 0.28 0.00 -5.00 5.64 -0.00 -1.26 -4.99 115.22 109.90 2yuf n HIS 87 Ca 0.07 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.93 2yuf n HIS 87 Cb 1.08 -0.63 -0.14 0.00 -0.12 0.00 0.00 29.99 30.19 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2yuf s LEU 88 N -5.11 2.54 0.05 0.27 1.43 -1.26 -4.81 118.68 111.78 2yuf s LEU 88 Ca -0.09 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2yuf s LEU 88 Cb 0.04 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.76 2yuf s LEU 88 CO 0.49 0.31 0.00 1.07 0.23 0.00 0.00 176.35 178.46 2yuf n THR 89 N 2.52 0.04 0.05 5.49 5.66 -1.26 -5.03 114.28 121.76 2yuf n THR 89 Ca -0.17 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2yuf n THR 89 Cb 0.52 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.60 2yuf n THR 89 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2yuf n LEU 90 N -2.76 -0.99 0.14 1.09 7.94 -1.26 -4.95 117.00 116.21 2yuf n LEU 90 Ca 0.00 0.28 0.05 0.00 -1.11 0.00 0.00 56.01 55.23 2yuf n LEU 90 Cb 0.08 1.17 0.50 0.00 0.53 0.00 0.00 43.42 45.70 2yuf n LEU 90 CO 0.00 -0.12 1.04 -0.74 -1.11 0.00 0.00 177.39 176.46 2yuf h HIS 91 N 0.00 0.23 -0.12 1.96 2.76 -1.98 -1.90 115.15 116.09 2yuf h HIS 91 Ca 0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2yuf h HIS 91 Cb 0.00 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 2yuf h HIS 91 CO 0.00 0.22 0.02 0.93 -1.30 0.00 0.00 177.93 177.79 2yuf h GLU 92 N 0.24 0.19 -0.66 5.26 3.07 -1.92 -2.41 114.58 118.34 2yuf h GLU 92 Ca 0.06 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2yuf h GLU 92 Cb 0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2yuf h GLU 92 CO -0.00 0.39 0.20 -0.07 -1.40 0.00 0.00 179.01 178.13 2yuf h LEU 93 N -0.03 0.96 -1.82 1.33 3.38 -1.84 0.12 115.31 117.40 2yuf h LEU 93 Ca 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2yuf h LEU 93 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2yuf h LEU 93 CO 0.00 0.90 -0.12 0.74 0.09 0.00 0.00 178.44 180.05 2yuf h THR 94 N 0.99 0.98 0.01 0.22 2.02 -1.25 -2.32 112.91 113.55 2yuf h THR 94 Ca 0.22 -0.44 -0.30 0.00 0.77 0.00 0.00 66.41 66.66 2yuf h THR 94 Cb 0.30 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 2yuf h THR 94 CO -0.01 0.12 -1.76 0.52 0.37 0.00 0.00 175.52 174.77 2yuf n VAL 95 N -4.23 1.62 0.12 3.16 0.31 -0.86 -2.70 118.33 115.74 2yuf n VAL 95 Ca -0.03 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.38 2yuf n VAL 95 Cb 0.20 -1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 31.96 2yuf n VAL 95 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 2yuf h ASN 96 N 0.01 -0.22 1.22 4.52 -1.24 -0.38 -3.04 115.58 116.44 2yuf h ASN 96 Ca -0.31 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.46 2yuf h ASN 96 Cb 2.02 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 41.11 2yuf h ASN 96 CO 0.08 -0.03 -0.70 -0.08 -1.29 0.00 0.00 177.43 175.41 2yuf h GLU 97 N -0.39 0.00 -0.39 6.67 4.81 -1.62 -3.24 114.58 120.42 2yuf h GLU 97 Ca -0.03 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2yuf h GLU 97 Cb 0.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2yuf h GLU 97 CO 0.04 0.70 0.28 0.00 -0.73 0.00 0.00 179.01 179.30 2yuf h ALA 98 N 1.30 2.36 0.00 2.92 0.00 -1.44 -0.35 119.26 124.06 2yuf h ALA 98 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2yuf h ALA 98 Cb 1.49 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2yuf h ALA 98 CO 0.09 -0.48 -1.28 0.00 0.00 0.00 0.00 179.25 177.58 2yuf n ALA 99 N -2.61 2.33 -0.36 0.00 0.00 -1.16 -3.81 120.51 114.90 2yuf n ALA 99 Ca 0.06 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.15 2yuf n ALA 99 Cb 0.47 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 19.13 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf h ALA 100 N 1.78 1.46 0.03 0.00 0.00 -1.08 0.81 119.26 122.27 2yuf h ALA 100 Ca -0.07 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 2yuf h ALA 100 Cb 1.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2yuf h ALA 100 CO 0.02 0.35 -1.18 1.96 0.00 0.00 0.00 179.25 180.40 2yuf h GLN 101 N 1.10 0.07 -0.05 0.00 4.20 -1.71 -3.18 115.11 115.54 2yuf h GLN 101 Ca 0.46 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.95 2yuf h GLN 101 Cb 0.30 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2yuf h GLN 101 CO -0.21 0.99 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.46 2yuf h LEU 102 N 0.02 0.12 -0.39 1.46 3.38 -1.44 -2.84 115.31 115.62 2yuf h LEU 102 Ca -0.09 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 2yuf h LEU 102 Cb 1.86 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2yuf h LEU 102 CO 0.14 0.53 -0.81 0.00 0.09 0.00 0.00 178.44 178.39 2yuf h VAL 104 N 0.04 0.00 -0.14 0.00 2.07 -1.48 -3.17 116.25 113.56 2yuf h VAL 104 Ca -0.02 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2yuf h VAL 104 Cb 1.42 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2yuf h VAL 104 CO 0.11 0.00 0.10 0.11 0.02 0.00 0.00 177.57 177.91 2yuf h LYS 105 N -0.52 0.08 -4.78 1.57 1.57 -1.67 -3.36 116.57 109.46 2yuf h LYS 105 Ca -0.04 -0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.07 2yuf h LYS 105 Cb 0.33 -0.02 -0.38 0.00 0.08 0.00 0.00 32.23 32.24 2yuf h LYS 105 CO 0.07 0.05 -0.76 -0.51 -0.57 0.00 0.00 179.45 177.73 2yuf s ASP 106 N -6.88 4.59 0.25 0.86 1.01 -0.93 -4.96 116.67 110.61 2yuf s ASP 106 Ca -0.05 -1.76 0.10 0.00 0.71 0.00 0.00 52.55 51.55 2yuf s ASP 106 Cb 0.18 -1.58 0.25 0.00 1.01 0.00 0.00 42.92 42.78 2yuf s ASP 106 CO 0.69 -0.28 1.55 0.78 0.21 0.00 0.00 175.17 178.12 2yuf h ASN 107 N 7.70 0.00 0.24 0.27 -0.26 -1.71 -3.06 115.58 118.76 2yuf h ASN 107 Ca -0.12 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 2yuf h ASN 107 Cb 1.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.29 2yuf h ASN 107 CO 0.49 0.68 -0.18 0.00 -1.06 0.00 0.00 177.43 177.36 2yuf h ALA 108 N 1.32 1.55 0.00 -0.83 0.00 -1.92 -2.12 119.26 117.26 2yuf h ALA 108 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2yuf h ALA 108 Cb 1.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2yuf h ALA 108 CO 0.09 0.22 -0.25 -0.07 0.00 0.00 0.00 179.25 179.24 2yuf h LEU 109 N 0.00 0.00 -1.88 0.00 3.38 -1.85 -2.39 115.31 112.57 2yuf h LEU 109 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2yuf h LEU 109 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2yuf h LEU 109 CO 0.02 0.25 0.19 -0.07 0.09 0.00 0.00 178.44 178.93 2yuf h LEU 110 N 0.00 0.13 0.08 1.67 3.38 -1.51 -1.90 115.31 117.16 2yuf h LEU 110 Ca -0.00 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2yuf h LEU 110 Cb 0.45 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2yuf h LEU 110 CO 0.03 0.09 -1.56 0.71 0.09 0.00 0.00 178.44 177.80 2yuf h THR 111 N 0.15 1.09 -2.62 0.22 1.35 -1.57 -3.40 112.91 108.12 2yuf h THR 111 Ca 0.13 -2.79 -0.74 0.00 -0.55 0.00 0.00 66.41 62.45 2yuf h THR 111 Cb 0.31 2.66 -0.20 0.00 -1.73 0.00 0.00 68.15 69.19 2yuf h THR 111 CO -0.02 0.77 0.97 -0.13 -0.25 0.00 0.00 175.52 176.86 2yuf s ARG 112 N -2.62 3.98 0.30 4.72 0.52 -0.71 -4.81 118.95 120.33 2yuf s ARG 112 Ca -0.08 -2.54 0.09 0.00 -0.52 0.00 0.00 55.73 52.67 2yuf s ARG 112 Cb 0.07 -4.88 0.48 0.00 0.52 0.00 0.00 34.95 31.14 2yuf s ARG 112 CO 0.83 -1.63 1.70 0.00 0.02 0.00 0.00 175.30 176.23 2yuf h ARG 113 N 7.43 0.13 -0.20 3.54 3.08 -1.80 -1.34 114.38 125.22 2yuf h ARG 113 Ca 0.24 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2yuf h ARG 113 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 2yuf h ARG 113 CO 1.13 0.57 0.03 0.22 -1.07 0.00 0.00 179.97 180.85 2yuf h ASP 114 N 0.10 0.33 0.54 7.04 1.82 -1.92 -1.35 116.42 122.99 2yuf h ASP 114 Ca 0.00 -0.27 -0.15 0.00 -0.39 0.00 0.00 57.03 56.23 2yuf h ASP 114 Cb 0.86 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 2yuf h ASP 114 CO 0.07 0.51 -0.66 -0.08 -1.61 0.00 0.00 179.24 177.47 2yuf h GLU 115 N 0.13 0.10 -0.44 0.28 4.57 -1.92 -3.07 114.58 114.23 2yuf h GLU 115 Ca 0.06 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2yuf h GLU 115 Cb 0.33 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2yuf h GLU 115 CO 0.01 0.72 -0.06 1.25 -1.18 0.00 0.00 179.01 179.74 2yuf h LEU 116 N 0.07 0.82 -1.54 1.64 5.85 -1.12 -2.47 115.31 118.57 2yuf h LEU 116 Ca -0.01 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2yuf h LEU 116 Cb 1.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 2yuf h LEU 116 CO 0.09 0.97 -0.23 0.15 -0.34 0.00 0.00 178.44 179.08 2yuf h PHE 117 N 0.65 0.01 -0.07 1.25 3.57 -1.23 0.82 116.94 121.93 2yuf h PHE 117 Ca 0.12 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2yuf h PHE 117 Cb 0.59 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2yuf h PHE 117 CO 0.05 0.23 -0.15 0.00 -2.23 0.00 0.00 178.31 176.21 2yuf h ALA 118 N 1.77 0.12 -0.15 2.41 0.00 -1.41 -2.34 119.26 119.66 2yuf h ALA 118 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2yuf h ALA 118 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2yuf h ALA 118 CO 0.03 0.02 -0.25 -0.07 0.00 0.00 0.00 179.25 178.98 2yuf h LEU 119 N -0.25 0.48 -2.03 0.00 3.38 -1.28 -2.53 115.31 113.09 2yuf h LEU 119 Ca 0.00 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2yuf h LEU 119 Cb 0.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2yuf h LEU 119 CO 0.03 0.92 -0.01 0.00 0.09 0.00 0.00 178.44 179.48 2yuf h ALA 120 N 0.57 1.95 0.00 1.53 0.00 -0.93 -1.38 119.26 121.00 2yuf h ALA 120 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2yuf h ALA 120 Cb 0.83 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2yuf h ALA 120 CO 0.06 0.01 -0.96 -0.09 0.00 0.00 0.00 179.25 178.26 2yuf h ARG 121 N 0.00 0.00 -0.03 0.00 2.43 -1.34 -3.11 114.38 112.33 2yuf h ARG 121 Ca -0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2yuf h ARG 121 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2yuf h ARG 121 CO 0.00 0.96 -0.44 0.37 -1.51 0.00 0.00 179.97 179.35 2yuf h GLN 122 N 0.00 0.06 0.01 0.20 4.15 -0.81 -2.88 115.11 115.83 2yuf h GLN 122 Ca -0.01 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.19 2yuf h GLN 122 Cb 1.70 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.37 2yuf h GLN 122 CO 0.12 0.49 -0.92 0.82 -1.93 0.00 0.00 178.83 177.42 2yuf h ILE 123 N 0.05 1.62 0.00 2.39 2.04 -1.50 -3.01 117.51 119.11 2yuf h ILE 123 Ca 0.00 -3.03 -0.10 0.00 1.00 0.00 0.00 64.86 62.73 2yuf h ILE 123 Cb 0.80 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 2yuf h ILE 123 CO 0.06 0.87 -0.45 0.77 0.00 0.00 0.00 178.15 179.40 2yuf h SER 124 N 0.02 0.00 0.94 1.72 4.64 -1.44 -2.30 113.55 117.12 2yuf h SER 124 Ca -0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 2yuf h SER 124 Cb 1.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 2yuf h SER 124 CO 0.12 0.45 -1.06 0.03 -0.87 0.00 0.00 176.83 175.51 2yuf h ARG 125 N 0.00 0.03 -0.08 4.77 3.08 -1.53 -3.02 114.38 117.63 2yuf h ARG 125 Ca -0.00 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 2yuf h ARG 125 Cb 0.82 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2yuf h ARG 125 CO 0.06 1.01 -0.72 0.93 -1.07 0.00 0.00 179.97 180.18 2yuf h GLU 126 N 0.01 0.40 -0.06 0.04 5.08 -1.37 -2.99 114.58 115.68 2yuf h GLU 126 Ca -0.03 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2yuf h GLU 126 Cb 1.80 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 2yuf h GLU 126 CO 0.14 0.96 -0.08 0.28 -1.00 0.00 0.00 179.01 179.31 2yuf h VAL 127 N 0.27 1.39 -0.24 3.13 2.07 -1.49 -2.19 116.25 119.19 2yuf h VAL 127 Ca -0.03 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.28 2yuf h VAL 127 Cb 1.29 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2yuf h VAL 127 CO 0.12 0.35 0.17 0.71 0.02 0.00 0.00 177.57 178.95 2yuf h THR 128 N -0.30 0.89 0.02 2.57 1.35 -1.59 0.82 112.91 116.67 2yuf h THR 128 Ca 0.01 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2yuf h THR 128 Cb 0.60 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2yuf h THR 128 CO 0.02 0.00 -0.01 0.22 -0.25 0.00 0.00 175.52 175.50 2yuf h TYR 129 N 0.01 -0.02 0.00 4.73 3.20 -1.45 -3.40 116.97 120.04 2yuf h TYR 129 Ca 0.11 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2yuf h TYR 129 Cb 0.44 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2yuf h TYR 129 CO -0.00 0.71 -0.01 0.87 -1.64 0.00 0.00 178.16 178.09 2yuf h LYS 130 N -0.81 0.00 -5.27 1.82 6.56 -0.95 -3.49 116.57 114.43 2yuf h LYS 130 Ca -0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 2yuf h LYS 130 Cb 0.74 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 32.54 2yuf h LYS 130 CO 0.00 0.00 -0.64 0.98 -2.06 0.00 0.00 179.45 177.74 2yuf n TYR 131 N -2.54 -2.29 -1.22 -1.35 9.36 0.28 -4.99 117.16 114.42 2yuf n TYR 131 Ca -0.00 0.87 -0.29 0.00 3.32 0.00 0.00 57.90 61.80 2yuf n TYR 131 Cb 0.00 -4.66 0.16 0.00 -0.63 0.00 0.00 39.34 34.22 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2yuf s THR 132 N -3.30 2.18 0.00 2.97 -4.23 -1.26 -5.00 115.64 107.00 2yuf s THR 132 Ca 0.29 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2yuf s THR 132 Cb -0.13 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2yuf s THR 132 CO 0.65 -0.08 0.00 -1.22 -0.54 0.00 0.00 174.62 173.43 2yuf n TYR 133 N -4.07 0.00 -4.71 3.99 4.02 -1.26 -4.46 117.16 110.66 2yuf n TYR 133 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.63 2yuf n TYR 133 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.82 2yuf n TYR 133 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2yuf n ARG 134 N -1.84 0.68 -0.09 -0.72 1.74 -1.26 -4.63 116.66 110.54 2yuf n ARG 134 Ca 0.00 -3.77 -0.23 0.00 -0.77 0.00 0.00 57.85 53.08 2yuf n ARG 134 Cb 0.00 1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 32.61 2yuf n ARG 134 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2yuf n THR 135 N -1.21 1.59 -3.15 0.55 -2.24 -1.26 -4.94 114.28 103.62 2yuf n THR 135 Ca -0.17 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 2yuf n THR 135 Cb 0.66 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 66.96 2yuf n THR 135 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2yuf s THR 136 N -2.43 -0.94 -0.36 4.28 -1.32 -1.26 -5.11 115.64 108.50 2yuf s THR 136 Ca -0.29 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 2yuf s THR 136 Cb 0.07 -0.98 0.15 0.00 -1.51 0.00 0.00 72.50 70.23 2yuf s THR 136 CO 0.62 0.00 0.30 -0.55 -2.21 0.00 0.00 174.62 172.77 2yuf s SER 137 N 2.86 2.01 0.00 8.08 0.15 -1.26 -5.11 113.70 120.42 2yuf s SER 137 Ca 0.16 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2yuf s SER 137 Cb -0.13 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2yuf s SER 137 CO -0.22 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.54 2yuf n GLY 138 N 4.20 -0.59 3.60 9.45 0.00 -1.26 -4.85 105.19 115.74 2yuf n GLY 138 Ca 0.11 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 2yuf n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuf s PRO 139 N -2.83 3.42 0.00 1.61 0.04 -1.26 -4.78 135.00 131.20 2yuf s PRO 139 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2yuf s PRO 139 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2yuf s PRO 139 CO 0.00 -1.76 0.00 0.43 0.04 0.00 0.00 177.00 175.71 2yuf n SER 140 N 9.81 1.39 -2.52 6.66 7.64 -1.26 -5.03 113.62 130.32 2yuf n SER 140 Ca 0.21 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.88 2yuf n SER 140 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2yuf n SER 140 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuf n SER 141 N -2.81 -5.93 0.00 6.43 2.88 -1.26 -5.25 113.62 107.67 2yuf n SER 141 Ca 0.00 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2yuf n SER 141 Cb 0.49 -4.89 0.00 0.00 -0.75 0.00 0.00 64.21 59.06 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42